methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate

C26H23NO7 — CID 55337962

About methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate

methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate (PubChem CID 55337962) has the molecular formula C26H23NO7 and a molecular weight of 461.47 g/mol. Its IUPAC name is methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate
• PubChem CID: 55337962
• Molecular Formula: C26H23NO7
• Molecular Weight: 461.47 g/mol
• Exact Mass: 461.15
• IUPAC Name: methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate
• SMILES: COC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
• InChI: InChI=1S/C26H23NO7/c1-15-21(16(2)34-27-15)14-32-22-10-9-19(13-24(22)30-3)25(28)33-23-12-18-8-6-5-7-17(18)11-20(23)26(29)31-4/h5-13H,14H2,1-4H3
• InChIKey: CCUJWXOZXONHTO-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 97.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate?

The IUPAC name of methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate (CID 55337962) is methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate.

What is the SMILES notation for methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate?

The canonical SMILES for methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1OC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1.

What is the InChIKey of methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate?

The InChIKey is CCUJWXOZXONHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO7/c1-15-21(16(2)34-27-15)14-32-22-10-9-19(13-24(22)30-3)25(28)33-23-12-18-8-6-5-7-17(18)11-20(23)26(29)31-4/h5-13H,14H2,1-4H3.

What are the key properties of methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate?

methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate has a molecular weight of 461.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]oxynaphthalene-2-carboxylate is sourced from PubChem (CID 55337962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).